N-[1-(7H-purin-6-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-(7H-purin-6-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-(7H-purin-6-yl)-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-(7H-purin-6-yl)-3-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(7H-purin-6-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(7H-purin-6-yl)-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2NC=N3)NC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CN(C1)C2=NC=NC3=C2NC=N3)NC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C20H23N7O/c28-20(27-9-7-14-4-1-2-5-15(14)10-27)25-16-6-3-8-26(11-16)19-17-18(22-12-21-17)23-13-24-19/h1-2,4-5,12-13,16H,3,6-11H2,(H,25,28)(H,21,22,23,24)