2-azanyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-3H-purine-6,8-dione

Systemtic Name: 2-azanyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-3H-purine-6,8-dione Openeye Name: 7-allyl-2-amino-9-[4-benzyloxy-3-(benzyloxymethyl)butyl]-3H-purine-6,8-dione CAS Name: 2-amino-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-3H-purine-6,8-dione IUPAC Name: 2-amino-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]-7-prop-2-enyl-3H-purine-6,8-dione Traditional Name: 7-allyl-2-amino-9-[4-benzoxy-3-(benzoxymethyl)butyl]-3H-purine-6,8-quinone Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)CCC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)CCC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4/c1-2-14-31-23-24(29-26(28)30-25(23)33)32(27(31)34)15-13-22(18-35-16-20-9-5-3-6-10-20)19-36-17-21-11-7-4-8-12-21/h2-12,22H,1,13-19H2,(H3,28,29,30,33)