6-[(1S)-1-phenylethyl]-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-[(1S)-1-phenylethyl]-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-[(1S)-1-phenylethyl]-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-[(1S)-1-phenylethyl]-1-(3-pyridinylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-[(1S)-1-phenylethyl]-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-[(1S)-1-phenylethyl]-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC3=C(NC2)N(C(=S)NC3=O)CC4=CN=CC=C4

InChI

InChI=1S/C20H21N5OS/c1-14(16-7-3-2-4-8-16)24-12-17-18(22-13-24)25(20(27)23-19(17)26)11-15-6-5-9-21-10-15/h2-10,14,22H,11-13H2,1H3,(H,23,26,27)/t14-/m0/s1