2-(phenylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 2-(phenylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-benzylsulfanyl-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 2-(phenylmethylthio)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-benzylsulfanyl-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-(benzylthio)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazoline Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=NC(=N2)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=NC(=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c1-27-20-13-17(14-21(28-2)23(20)29-3)22-18-11-7-8-12-19(18)25-24(26-22)30-15-16-9-5-4-6-10-16/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3