2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-[(3,4-dimethoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-veratryl-quinazolin-4-one Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N)OC

InChI

InChI=1S/C26H23N5O3S/c1-33-21-12-11-16(13-22(21)34-2)14-31-25(32)18-8-4-6-10-20(18)29-26(31)35-15-23-28-19-9-5-3-7-17(19)24(27)30-23/h3-13H,14-15H2,1-2H3,(H2,27,28,30)