2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-bis(prop-2-enoxy)quinazolin-4-amine hydrochloride

Systemtic Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-bis(prop-2-enoxy)quinazolin-4-amine hydrochloride Openeye Name: 6,7-diallyloxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]-6,7-bis(prop-2-enoxy)-4-quinazolinamine hydrochloride IUPAC Name: 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]-6,7-bis(prop-2-enoxy)quinazolin-4-amine hydrochloride Traditional Name: [6,7-diallyloxy-2-[4-(4-phenylphenyl)sulfonylpiperazino]quinazolin-4-yl]amine hydrochloride Formula: C30H32ClN5O4S MolecularWeight: 594.12418

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OCC=C.Cl

Isomeric SMILES

C=CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OCC=C.Cl

InChI

InChI=1S/C30H31N5O4S.ClH/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;/h3-13,20-21H,1-2,14-19H2,(H2,31,32,33);1H