N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3-(7H-purin-6-ylamino)propanamide

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3-(7H-purin-6-ylamino)propanamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-3-(7H-purin-6-ylamino)propanamide CAS Name: N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-3-(7H-purin-6-ylamino)propanamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-3-(7H-purin-6-ylamino)propionamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=O)CCNC2=NC=NC3=C2NC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCNC(=O)CCNC2=NC=NC3=C2NC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N7O/c30-19(7-11-24-21-20-22(26-15-25-20)28-16-27-21)23-10-6-17-8-12-29(13-9-17)14-18-4-2-1-3-5-18/h1-5,15-17H,6-14H2,(H,23,30)(H2,24,25,26,27,28)