2-[[5-(3-azanylpyrrolidin-1-yl)sulfonylpyridin-2-yl]amino]-6-bromanyl-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[[5-(3-azanylpyrrolidin-1-yl)sulfonylpyridin-2-yl]amino]-6-bromanyl-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[[5-(3-aminopyrrolidin-1-yl)sulfonyl-2-pyridyl]amino]-6-bromo-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[[5-[(3-amino-1-pyrrolidinyl)sulfonyl]-2-pyridinyl]amino]-6-bromo-8-cyclopentyl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[[5-(3-aminopyrrolidin-1-yl)sulfonylpyridin-2-yl]amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[[5-(3-aminopyrrolidino)sulfonyl-2-pyridyl]amino]-6-bromo-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one Formula: C21H24BrN7O3S MolecularWeight: 534.42936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)Br)NC4=NC=C(C=C4)S(=O)(=O)N5CCC(C5)N

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)Br)NC4=NC=C(C=C4)S(=O)(=O)N5CCC(C5)N

InChI

InChI=1S/C21H24BrN7O3S/c22-17-9-13-10-25-21(27-19(13)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(11-24-18)33(31,32)28-8-7-14(23)12-28/h5-6,9-11,14-15H,1-4,7-8,12,23H2,(H,24,25,26,27)