4-(6-methoxy-7-methyl-quinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-methoxy-7-methyl-quinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6-methoxy-7-methyl-quinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6-methoxy-7-methyl-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-methoxy-7-methylquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6-methoxy-7-methyl-quinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

InChI

InChI=1S/C21H24N6OS/c1-15-10-18-17(11-19(15)28-2)20(25-14-24-18)26-6-8-27(9-7-26)21(29)23-13-16-4-3-5-22-12-16/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,23,29)