3-(2-chlorophenyl)-7-(phenylmethyl)sulfonyl-1-(2-pyrrolidin-1-ylethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-7-(phenylmethyl)sulfonyl-1-(2-pyrrolidin-1-ylethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-benzylsulfonyl-3-(2-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-(phenylmethyl)sulfonyl-1-[2-(1-pyrrolidinyl)ethyl]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-benzylsulfonyl-3-(2-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-benzylsulfonyl-3-(2-chlorophenyl)-1-(2-pyrrolidinoethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H26ClN5O3S MolecularWeight: 512.02364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Cl)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Cl)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H26ClN5O3S/c26-21-10-4-5-11-22(21)31-17-20-16-27-24(35(33,34)18-19-8-2-1-3-9-19)28-23(20)30(25(31)32)15-14-29-12-6-7-13-29/h1-5,8-11,16H,6-7,12-15,17-18H2