2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[4-(m-tolyl)piperazino]ethanone Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H22N6OS/c1-12-3-2-4-13(9-12)22-5-7-23(8-6-22)16(24)11-25-17-20-14(18)10-15(19)21-17/h2-4,9-10H,5-8,11H2,1H3,(H4,18,19,20,21)