2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2CCCC2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2CCCC2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c1-13-16(11-14-7-3-2-4-8-14)18(24)22-19(20-13)25-12-17(23)21-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,21,23)(H,20,22,24)/p-1