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

Systemtic Name: 6,7-bis(azanyl)-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one Openeye Name: 6,7-diamino-2-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one CAS Name: 6,7-diamino-2-[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1H-quinazolin-4-one IUPAC Name: 6,7-diamino-2-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1H-quinazolin-4-one Traditional Name: 6,7-diamino-2-[5-(4-benzylpiperazino)sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one Formula: C28H32N6O4S MolecularWeight: 548.65648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC(=O)C5=CC(=C(C=C5N4)N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC(=O)C5=CC(=C(C=C5N4)N)N

InChI

InChI=1S/C28H32N6O4S/c1-2-14-38-26-9-8-20(15-22(26)27-31-25-17-24(30)23(29)16-21(25)28(35)32-27)39(36,37)34-12-10-33(11-13-34)18-19-6-4-3-5-7-19/h3-9,15-17H,2,10-14,18,29-30H2,1H3,(H,31,32,35)