4-azanyl-3-(4-chlorophenyl)-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 4-azanyl-3-(4-chlorophenyl)-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 4-amino-3-(4-chlorophenyl)-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 4-amino-3-(4-chlorophenyl)-7-(1-pyrrolidinyl)-2-pyrimido[4,5-d]pyrimidinone IUPAC Name: 4-amino-3-(4-chlorophenyl)-7-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-2-one Traditional Name: 4-amino-3-(4-chlorophenyl)-7-pyrrolidino-pyrimido[4,5-d]pyrimidin-2-one Formula: C16H15ClN6O MolecularWeight: 342.7829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=NC(=O)N(C(=C3C=N2)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=NC(=O)N(C(=C3C=N2)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H15ClN6O/c17-10-3-5-11(6-4-10)23-13(18)12-9-19-15(22-7-1-2-8-22)20-14(12)21-16(23)24/h3-6,9H,1-2,7-8,18H2