2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 2-(4-methoxyphenyl)-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 2-(4-methoxyphenyl)-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CC4=CC=NC=C4)CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CC4=CC=NC=C4)CCCC3

InChI

InChI=1S/C21H21N3OS/c1-25-17-8-6-16(7-9-17)20-23-21(26)18-4-2-3-5-19(18)24(20)14-15-10-12-22-13-11-15/h6-13H,2-5,14H2,1H3