ethyl 4-[8-(naphthalen-2-ylamino)-6-[(phenylmethyl)amino]purin-9-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[8-(naphthalen-2-ylamino)-6-[(phenylmethyl)amino]purin-9-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[6-(benzylamino)-8-(2-naphthylamino)purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[8-(2-naphthalenylamino)-6-[(phenylmethyl)amino]-9-purinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(benzylamino)-8-(naphthalen-2-ylamino)purin-9-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(benzylamino)-8-(2-naphthylamino)purin-9-yl]piperidine-1-carboxylic acid ethyl ester Formula: C30H31N7O2 MolecularWeight: 521.61284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H31N7O2/c1-2-39-30(38)36-16-14-25(15-17-36)37-28-26(27(32-20-33-28)31-19-21-8-4-3-5-9-21)35-29(37)34-24-13-12-22-10-6-7-11-23(22)18-24/h3-13,18,20,25H,2,14-17,19H2,1H3,(H,34,35)(H,31,32,33)