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

Systemtic Name: 6-butan-2-yl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(3-pyridylmethyl)-6-sec-butyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-butan-2-yl-1-(3-pyridinylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-butan-2-yl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(3-pyridylmethyl)-6-sec-butyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(NC1)N(C(=S)NC2=O)CC3=CN=CC=C3

Isomeric SMILES

CCC(C)N1CC2=C(NC1)N(C(=S)NC2=O)CC3=CN=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-3-11(2)20-9-13-14(18-10-20)21(16(23)19-15(13)22)8-12-5-4-6-17-7-12/h4-7,11,18H,3,8-10H2,1-2H3,(H,19,22,23)