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

Systemtic Name: 6-[(1S)-1-phenylethyl]-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-allyl-6-[(1S)-1-phenylethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-[(1S)-1-phenylethyl]-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-[(1S)-1-phenylethyl]-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-allyl-6-[(1S)-1-phenylethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-3-9-21-15-14(16(22)19-17(21)23)10-20(11-18-15)12(2)13-7-5-4-6-8-13/h3-8,12,18H,1,9-11H2,2H3,(H,19,22,23)/t12-/m0/s1