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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H22N6O2S/c1-25-13-4-2-12(3-5-13)22-6-8-23(9-7-22)16(24)11-26-17-20-14(18)10-15(19)21-17/h2-5,10H,6-9,11H2,1H3,(H4,18,19,20,21)