3-[6-azanyl-9-[3,4-dimethyl-5-(phosphanyloxymethyl)oxolan-2-yl]purin-8-yl]-1,4-dimethyl-pyrrole-2,5-dione

Systemtic Name: 3-[6-azanyl-9-[3,4-dimethyl-5-(phosphanyloxymethyl)oxolan-2-yl]purin-8-yl]-1,4-dimethyl-pyrrole-2,5-dione Openeye Name: 3-[6-amino-9-[3,4-dimethyl-5-(phosphanyloxymethyl)tetrahydrofuran-2-yl]purin-8-yl]-1,4-dimethyl-pyrrole-2,5-dione CAS Name: 3-[6-amino-9-[3,4-dimethyl-5-(phosphinooxymethyl)-2-oxolanyl]-8-purinyl]-1,4-dimethylpyrrole-2,5-dione IUPAC Name: 3-[6-amino-9-[3,4-dimethyl-5-(phosphanyloxymethyl)oxolan-2-yl]purin-8-yl]-1,4-dimethylpyrrole-2,5-dione Traditional Name: 3-[6-amino-9-[3,4-dimethyl-5-(phosphinooxymethyl)tetrahydrofuran-2-yl]purin-8-yl]-1,4-dimethyl-3-pyrroline-2,5-quinone Formula: C18H23N6O4P MolecularWeight: 418.386781

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC1COP)N2C3=C(C(=NC=N3)N)N=C2C4=C(C(=O)N(C4=O)C)C)C

Isomeric SMILES

CC1C(C(OC1COP)N2C3=C(C(=NC=N3)N)N=C2C4=C(C(=O)N(C4=O)C)C)C

InChI

InChI=1S/C18H23N6O4P/c1-7-8(2)18(28-10(7)5-27-29)24-14(11-9(3)16(25)23(4)17(11)26)22-12-13(19)20-6-21-15(12)24/h6-8,10,18H,5,29H2,1-4H3,(H2,19,20,21)