[6-[4-(2-azanyl-7H-purin-6-yl)-2-methyl-piperazin-1-yl]-5-chloranyl-pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[4-(2-azanyl-7H-purin-6-yl)-2-methyl-piperazin-1-yl]-5-chloranyl-pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methyl-piperazin-1-yl]-5-chloro-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methyl-1-piperazinyl]-5-chloro-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methylpiperazin-1-yl]-5-chloropyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methyl-piperazino]-5-chloro-3-pyridyl]-pyrrolidino-methanone Formula: C20H24ClN9O MolecularWeight: 441.91726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C=C(C=N2)C(=O)N3CCCC3)Cl)C4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1CN(CCN1C2=C(C=C(C=N2)C(=O)N3CCCC3)Cl)C4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C20H24ClN9O/c1-12-10-29(18-15-16(25-11-24-15)26-20(22)27-18)6-7-30(12)17-14(21)8-13(9-23-17)19(31)28-4-2-3-5-28/h8-9,11-12H,2-7,10H2,1H3,(H3,22,24,25,26,27)