2-[[3-chloranyl-4-(3-chloranylpyrrolidin-1-yl)phenyl]amino]-8-cyclopentyl-pteridin-7-one

Systemtic Name: 2-[[3-chloranyl-4-(3-chloranylpyrrolidin-1-yl)phenyl]amino]-8-cyclopentyl-pteridin-7-one Openeye Name: 2-[3-chloro-4-(3-chloropyrrolidin-1-yl)anilino]-8-cyclopentyl-pteridin-7-one CAS Name: 2-[3-chloro-4-(3-chloro-1-pyrrolidinyl)anilino]-8-cyclopentyl-7-pteridinone IUPAC Name: 2-[3-chloro-4-(3-chloropyrrolidin-1-yl)anilino]-8-cyclopentylpteridin-7-one Traditional Name: 2-[3-chloro-4-(3-chloropyrrolidino)anilino]-8-cyclopentyl-pteridin-7-one Formula: C21H22Cl2N6O MolecularWeight: 445.34498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC(=C(C=C4)N5CCC(C5)Cl)Cl

Isomeric SMILES

C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC(=C(C=C4)N5CCC(C5)Cl)Cl

InChI

InChI=1S/C21H22Cl2N6O/c22-13-7-8-28(12-13)18-6-5-14(9-16(18)23)26-21-25-10-17-20(27-21)29(19(30)11-24-17)15-3-1-2-4-15/h5-6,9-11,13,15H,1-4,7-8,12H2,(H,25,26,27)