2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-dipropoxy-quinazolin-4-amine

Systemtic Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-dipropoxy-quinazolin-4-amine Openeye Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-dipropoxy-quinazolin-4-amine CAS Name: 2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]-6,7-dipropoxy-4-quinazolinamine IUPAC Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-dipropoxyquinazolin-4-amine Traditional Name: [2-[4-(4-phenylphenyl)sulfonylpiperazino]-6,7-dipropoxy-quinazolin-4-yl]amine Formula: C30H35N5O4S MolecularWeight: 561.695

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OCCC

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OCCC

InChI

InChI=1S/C30H35N5O4S/c1-3-18-38-27-20-25-26(21-28(27)39-19-4-2)32-30(33-29(25)31)34-14-16-35(17-15-34)40(36,37)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-13,20-21H,3-4,14-19H2,1-2H3,(H2,31,32,33)