3-methoxy-4-[9-(2-methoxy-ethyl)-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino]-benzoic acid

HCID 68740451

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Basic information

Standard SMILES: COCCN1CCC(=O)N(C)c2cnc(Nc3ccc(C(=O)O)cc3OC)nc21
InChIKey: YAABORFYODJZLN-UHFFFAOYSA-N
Molecular formula: C19H23N5O5
Average molar mass: 401.4 g/mol

Names & identifiers

Preferred name: 3-methoxy-4-[9-(2-methoxy-ethyl)-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino]-benzoic acid
IUPAC: 3-methoxy-4-[[9-(2-methoxyethyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]benzoic acid

Names & synonyms

SCHEMBL3675128YAABORFYODJZLN-UHFFFAOYSA-N3-methoxy-4-[9-(2-methoxy-ethyl)-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino]-benzoic acid