5-methyl-3-(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)sulfanyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-methyl-3-(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)sulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-methyl-3-[6-methyl-2-(1-piperidyl)pyrimidin-4-yl]sulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-methyl-3-[[6-methyl-2-(1-piperidinyl)-4-pyrimidinyl]thio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-methyl-3-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-methyl-3-[(6-methyl-2-piperidino-pyrimidin-4-yl)thio]-[1,2,4]triazin[5,6-b]indole Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCC2)SC3=NC4=C(C5=CC=CC=C5N4C)N=N3

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCC2)SC3=NC4=C(C5=CC=CC=C5N4C)N=N3

InChI

InChI=1S/C20H21N7S/c1-13-12-16(22-19(21-13)27-10-6-3-7-11-27)28-20-23-18-17(24-25-20)14-8-4-5-9-15(14)26(18)2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3