6,7-bis(azanyl)-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-bis(azanyl)-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one Openeye Name: 6,7-diamino-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one CAS Name: 6,7-diamino-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1H-quinazolin-4-one IUPAC Name: 6,7-diamino-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1H-quinazolin-4-one Traditional Name: 6,7-diamino-2-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

InChI

InChI=1S/C22H28N6O4S/c1-3-10-32-20-5-4-14(33(30,31)28-8-6-27(2)7-9-28)11-16(20)21-25-19-13-18(24)17(23)12-15(19)22(29)26-21/h4-5,11-13H,3,6-10,23-24H2,1-2H3,(H,25,26,29)