1,3-dibutyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione Openeye Name: 8-(benzylamino)-1,3-dibutyl-7H-purine-2,6-dione CAS Name: 1,3-dibutyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione IUPAC Name: 8-(benzylamino)-1,3-dibutyl-7H-purine-2,6-dione Traditional Name: 8-(benzylamino)-1,3-dibutyl-7H-purine-2,6-quinone Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2/c1-3-5-12-24-17-16(18(26)25(20(24)27)13-6-4-2)22-19(23-17)21-14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3,(H2,21,22,23)