9-[(1R,4R)-4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopent-2-en-1-yl]purine-2,6-diamine

Systemtic Name: 9-[(1R,4R)-4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopent-2-en-1-yl]purine-2,6-diamine Openeye Name: 9-[(1R,4R)-4-(2-diisopropoxyphosphorylethyl)cyclopent-2-en-1-yl]purine-2,6-diamine CAS Name: 9-[(1R,4R)-4-[2-di(propan-2-yloxy)phosphorylethyl]-1-cyclopent-2-enyl]purine-2,6-diamine IUPAC Name: 9-[(1R,4R)-4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopent-2-en-1-yl]purine-2,6-diamine Traditional Name: [2-amino-9-[(1R,4R)-4-(2-diisopropoxyphosphorylethyl)cyclopent-2-en-1-yl]purin-6-yl]amine Formula: C18H29N6O3P MolecularWeight: 408.435021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(CCC1CC(C=C1)N2C=NC3=C2N=C(N=C3N)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CC[C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(N=C3N)N)OC(C)C

InChI

InChI=1S/C18H29N6O3P/c1-11(2)26-28(25,27-12(3)4)8-7-13-5-6-14(9-13)24-10-21-15-16(19)22-18(20)23-17(15)24/h5-6,10-14H,7-9H2,1-4H3,(H4,19,20,22,23)/t13-,14-/m0/s1