8-(3-azanylpiperidin-1-yl)-1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)-8,9-dihydropurine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)-8,9-dihydropurine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1,3-bis(cyclopropylmethyl)-8,9-dihydropurine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-1,3-bis(cyclopropylmethyl)-7-(phenylmethyl)-8,9-dihydropurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1,3-bis(cyclopropylmethyl)-8,9-dihydropurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1,3-bis(cyclopropylmethyl)-8,9-dihydropurine-2,6-quinone Formula: C25H34N6O2 MolecularWeight: 450.57646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5CC5)CC6CC6)N

Isomeric SMILES

C1CC(CN(C1)C2NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5CC5)CC6CC6)N

InChI

InChI=1S/C25H34N6O2/c26-20-7-4-12-28(16-20)24-27-22-21(29(24)13-17-5-2-1-3-6-17)23(32)31(15-19-10-11-19)25(33)30(22)14-18-8-9-18/h1-3,5-6,18-20,24,27H,4,7-16,26H2