3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1-benzyl-4-piperidyl)propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[1-(phenylmethyl)-4-piperidinyl]propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-(1-benzyl-4-piperidyl)propionamide Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCN2C=NC3=C2NC(=NC3=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CCN2C=NC3=C2NC(=NC3=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N7O2/c21-20-24-18-17(19(29)25-20)22-13-27(18)11-8-16(28)23-15-6-9-26(10-7-15)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,23,28)(H3,21,24,25,29)