2-azanyl-9-[4-(diphenylmethyl)-6-(hydroxymethyl)morpholin-2-yl]-7-prop-2-enyl-3H-purine-6,8-dione

Systemtic Name: 2-azanyl-9-[4-(diphenylmethyl)-6-(hydroxymethyl)morpholin-2-yl]-7-prop-2-enyl-3H-purine-6,8-dione Openeye Name: 7-allyl-2-amino-9-[4-benzhydryl-6-(hydroxymethyl)morpholin-2-yl]-3H-purine-6,8-dione CAS Name: 2-amino-9-[4-(diphenylmethyl)-6-(hydroxymethyl)-2-morpholinyl]-7-prop-2-enyl-3H-purine-6,8-dione IUPAC Name: 2-amino-9-[4-benzhydryl-6-(hydroxymethyl)morpholin-2-yl]-7-prop-2-enyl-3H-purine-6,8-dione Traditional Name: 7-allyl-2-amino-9-(4-benzhydryl-6-methylol-morpholin-2-yl)-3H-purine-6,8-quinone Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)C3CN(CC(O3)CO)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)C3CN(CC(O3)CO)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O4/c1-2-13-31-22-23(28-25(27)29-24(22)34)32(26(31)35)20-15-30(14-19(16-33)36-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h2-12,19-21,33H,1,13-16H2,(H3,27,28,29,34)