Basic information
- CAS
117013-51-1- Standard SMILES
CC(C)/C=C1\NC(=O)C(C(C)C)n2c1nc1c(c2=O)C=CC=CO1- InChIKey
CCHUDPANZXHQCS-LCYFTJDESA-N- Molecular formula
- C18H21N3O3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.15829154
Names & identifiers
- Preferred name
- (11Z)-10,11-Dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione
- IUPAC
- (4Z)-4-(2-methylpropylidene)-7-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Names & synonyms
117013-51-1DTXSID301105224NCGC00384906-01(11Z)-10,11-Dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-6H-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dioneNCGC00384906-01_C18H21N3O3_6H-Oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8H)-dione, 10,11-dihydro-8-(1-methylethyl)-11-(2-methylpropylidene)-, (11Z)-
Database identifiers
- CAS
117013-51-1- PubChem CID
- 51136253
- DTXSID
DTXSID301105224
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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