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

Systemtic Name: 6-propyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-propyl-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-propyl-1-(3-pyridinylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-propyl-1-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-propyl-1-(3-pyridylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(NC1)N(C(=S)NC2=O)CC3=CN=CC=C3

Isomeric SMILES

CCCN1CC2=C(NC1)N(C(=S)NC2=O)CC3=CN=CC=C3

InChI

InChI=1S/C15H19N5OS/c1-2-6-19-9-12-13(17-10-19)20(15(22)18-14(12)21)8-11-4-3-5-16-7-11/h3-5,7,17H,2,6,8-10H2,1H3,(H,18,21,22)