N-(3-methyl-4-phenoxy-phenyl)-6-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[3-(4-methylsulfonyl-1-piperazinyl)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinazolin-4-amine Traditional Name: [6-[3-(4-mesylpiperazino)prop-1-ynyl]quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)S(=O)(=O)C)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)S(=O)(=O)C)OC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3S/c1-22-19-24(11-13-28(22)37-25-8-4-3-5-9-25)32-29-26-20-23(10-12-27(26)30-21-31-29)7-6-14-33-15-17-34(18-16-33)38(2,35)36/h3-5,8-13,19-21H,14-18H2,1-2H3,(H,30,31,32)