3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-quinone Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)NC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(C(=CN3)C4=CC=CC=C4)NC2=O

InChI

InChI=1S/C20H22N4O3/c25-16(23-10-6-1-2-7-11-23)13-24-19(26)18-17(22-20(24)27)15(12-21-18)14-8-4-3-5-9-14/h3-5,8-9,12,21H,1-2,6-7,10-11,13H2,(H,22,27)