[2,4-bis(azanyl)pyrimidin-5-yl]-(7-methoxy-8-methyl-quinolin-5-yl)methanethiol

Systemtic Name: [2,4-bis(azanyl)pyrimidin-5-yl]-(7-methoxy-8-methyl-quinolin-5-yl)methanethiol Openeye Name: (2,4-diaminopyrimidin-5-yl)-(7-methoxy-8-methyl-5-quinolyl)methanethiol CAS Name: (2,4-diamino-5-pyrimidinyl)-(7-methoxy-8-methyl-5-quinolinyl)methanethiol IUPAC Name: (2,4-diaminopyrimidin-5-yl)-(7-methoxy-8-methylquinolin-5-yl)methanethiol Traditional Name: (2,4-diaminopyrimidin-5-yl)-(7-methoxy-8-methyl-5-quinolyl)methanethiol Formula: C16H17N5OS MolecularWeight: 327.40408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1N=CC=C2)C(C3=CN=C(N=C3N)N)S)OC

Isomeric SMILES

CC1=C(C=C(C2=C1N=CC=C2)C(C3=CN=C(N=C3N)N)S)OC

InChI

InChI=1S/C16H17N5OS/c1-8-12(22-2)6-10(9-4-3-5-19-13(8)9)14(23)11-7-20-16(18)21-15(11)17/h3-7,14,23H,1-2H3,(H4,17,18,20,21)