7-cyclopropyl-3-methyl-2-oxidanylidene-1-(phenylmethyl)-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 7-cyclopropyl-3-methyl-2-oxidanylidene-1-(phenylmethyl)-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 1-benzyl-7-cyclopropyl-3-methyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-cyclopropyl-3-methyl-2-oxo-1-(phenylmethyl)-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1-benzyl-7-cyclopropyl-3-methyl-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 1-benzyl-7-cyclopropyl-2-keto-3-methyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=NC2=S)C3CC3)N(C1=O)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=NC2=S)C3CC3)N(C1=O)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-20-16(22)12-14(18-13(11-7-8-11)19-15(12)24)21(17(20)23)9-10-5-3-2-4-6-10/h2-6,11,22H,7-9H2,1H3/p-1