2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N,N-dicyclohexyl-acetamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)N(C3CCCCC3)C4CCCCC4)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)N(C3CCCCC3)C4CCCCC4)N

InChI

InChI=1S/C25H34N4O2S/c1-18-9-8-14-21(15-18)29-22(26)16-23(30)27-25(29)32-17-24(31)28(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h8-9,14-16,19-20H,2-7,10-13,17,26H2,1H3