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

Systemtic Name: 6,7-bis(azanyl)-2-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazolin-4-one Openeye Name: 6,7-diamino-2-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-quinazolin-4-one CAS Name: 6,7-diamino-2-[2-butoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1H-quinazolin-4-one IUPAC Name: 6,7-diamino-2-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-quinazolin-4-one Traditional Name: 6,7-diamino-2-[2-butoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1H-quinazolin-4-one Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

InChI

InChI=1S/C23H30N6O4S/c1-3-4-11-33-21-6-5-15(34(31,32)29-9-7-28(2)8-10-29)12-17(21)22-26-20-14-19(25)18(24)13-16(20)23(30)27-22/h5-6,12-14H,3-4,7-11,24-25H2,1-2H3,(H,26,27,30)