6-(3-azanylpyrrolidin-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: 6-(3-azanylpyrrolidin-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluoro-phenyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-(3-amino-1-pyrrolidinyl)-N-(3-chloro-4-fluorophenyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-(3-aminopyrrolidino)pyrimido[5,4-d]pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C16H15ClFN7 MolecularWeight: 359.788603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC1N)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C16H15ClFN7/c17-11-5-10(1-2-12(11)18)23-15-14-13(21-8-22-15)6-20-16(24-14)25-4-3-9(19)7-25/h1-2,5-6,8-9H,3-4,7,19H2,(H,21,22,23)