[4-[[3-methyl-4-(thiophen-3-ylmethyl)phenyl]amino]quinazolin-6-yl] 7-morpholin-4-ylhept-2-ynoate

Systemtic Name: [4-[[3-methyl-4-(thiophen-3-ylmethyl)phenyl]amino]quinazolin-6-yl] 7-morpholin-4-ylhept-2-ynoate Openeye Name: [4-[3-methyl-4-(3-thienylmethyl)anilino]quinazolin-6-yl] 7-morpholinohept-2-ynoate CAS Name: 7-(4-morpholinyl)-2-heptynoic acid [4-[3-methyl-4-(3-thiophenylmethyl)anilino]-6-quinazolinyl] ester IUPAC Name: [4-[3-methyl-4-(thiophen-3-ylmethyl)anilino]quinazolin-6-yl] 7-morpholin-4-ylhept-2-ynoate Traditional Name: 7-morpholinohept-2-ynoic acid [4-[3-methyl-4-(3-thenyl)anilino]quinazolin-6-yl] ester Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)OC(=O)C#CCCCCN4CCOCC4)CC5=CSC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)OC(=O)C#CCCCCN4CCOCC4)CC5=CSC=C5

InChI

InChI=1S/C31H32N4O3S/c1-23-18-26(8-7-25(23)19-24-11-17-39-21-24)34-31-28-20-27(9-10-29(28)32-22-33-31)38-30(36)6-4-2-3-5-12-35-13-15-37-16-14-35/h7-11,17-18,20-22H,2-3,5,12-16,19H2,1H3,(H,32,33,34)