2-[5-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-2H-pyrrol-4-yl]-6-bromanyl-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-2H-pyrrol-4-yl]-6-bromanyl-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-6-bromo-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-6-bromo-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-6-bromo-1H-quinazolin-4-one Traditional Name: 2-(2-amino-1-homoveratryl-4-keto-2-pyrrolin-3-yl)-6-bromo-1H-quinazolin-4-one Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(=O)C(=C2N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(=O)C(=C2N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)OC

InChI

InChI=1S/C22H21BrN4O4/c1-30-17-6-3-12(9-18(17)31-2)7-8-27-11-16(28)19(20(27)24)21-25-15-5-4-13(23)10-14(15)22(29)26-21/h3-6,9-10H,7-8,11,24H2,1-2H3,(H,25,26,29)