6-(2,6-dimethylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-(2,6-dimethylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-(2,6-dimethylphenyl)-2-pyrrolidin-1-yl-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(2,6-dimethylphenyl)-2-(1-pyrrolidinyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(2,6-dimethylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-(2,6-dimethylphenyl)-2-pyrrolidino-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCCC4

InChI

InChI=1S/C18H19N5OS/c1-11-6-5-7-12(2)14(11)23-10-19-15-13(17(23)25)16(24)21-18(20-15)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21,24)