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

Systemtic Name: [6-[4-(2-azanyl-7H-purin-6-yl)-2-methyl-piperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methyl-piperazin-1-yl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methyl-1-piperazinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methylpiperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-(2-amino-7H-purin-6-yl)-2-methyl-piperazino]-3-pyridyl]-pyrrolidino-methanone Formula: C20H25N9O MolecularWeight: 407.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=C(C=C2)C(=O)N3CCCC3)C4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1CN(CCN1C2=NC=C(C=C2)C(=O)N3CCCC3)C4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C20H25N9O/c1-13-11-28(18-16-17(24-12-23-16)25-20(21)26-18)8-9-29(13)15-5-4-14(10-22-15)19(30)27-6-2-3-7-27/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H3,21,23,24,25,26)