1-cyclopentyl-7-[(4-methylsulfonylphenyl)amino]pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopentyl-7-[(4-methylsulfonylphenyl)amino]pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-7-(4-methylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-(4-methylsulfonylanilino)-2-pyrimido[4,5-d]pyrimidinone IUPAC Name: 1-cyclopentyl-7-(4-methylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-7-(4-mesylanilino)pyrimido[4,5-d]pyrimidin-2-one Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C3C=NC(=O)N(C3=N2)C4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C3C=NC(=O)N(C3=N2)C4CCCC4

InChI

InChI=1S/C18H19N5O3S/c1-27(25,26)15-8-6-13(7-9-15)21-17-19-10-12-11-20-18(24)23(16(12)22-17)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,19,21,22)