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

Systemtic Name: 6,7-dibutoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Openeye Name: 6,7-dibutoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride CAS Name: 6,7-dibutoxy-2-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]-4-quinazolinamine hydrochloride IUPAC Name: 6,7-dibutoxy-2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine hydrochloride Traditional Name: [6,7-dibutoxy-2-[4-(4-phenylphenyl)sulfonylpiperazino]quinazolin-4-yl]amine hydrochloride Formula: C32H40ClN5O4S MolecularWeight: 626.2091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OCCCC.Cl

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OCCCC.Cl

InChI

InChI=1S/C32H39N5O4S.ClH/c1-3-5-20-40-29-22-27-28(23-30(29)41-21-6-4-2)34-32(35-31(27)33)36-16-18-37(19-17-36)42(38,39)26-14-12-25(13-15-26)24-10-8-7-9-11-24;/h7-15,22-23H,3-6,16-21H2,1-2H3,(H2,33,34,35);1H