2-azanyl-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,4S)-4-(diisopropoxyphosphorylmethoxy)cyclohex-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-1-cyclohex-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,4S)-4-(diisopropoxyphosphorylmethoxy)cyclohex-2-en-1-yl]-3H-purin-6-one Formula: C18H28N5O5P MolecularWeight: 425.419181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC1CCC(C=C1)N2C=NC3=C2NC(=NC3=O)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CO[C@H]1CC[C@H](C=C1)N2C=NC3=C2NC(=NC3=O)N)OC(C)C

InChI

InChI=1S/C18H28N5O5P/c1-11(2)27-29(25,28-12(3)4)10-26-14-7-5-13(6-8-14)23-9-20-15-16(23)21-18(19)22-17(15)24/h5,7,9,11-14H,6,8,10H2,1-4H3,(H3,19,21,22,24)/t13-,14+/m0/s1