disodium 1-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol

Systemtic Name: disodium 1-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[6-(allylamino)-2-amino-purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[2-amino-6-(prop-2-enylamino)-9-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[2-amino-6-(prop-2-enylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[6-(allylamino)-2-amino-purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C12H17N6Na2O5P MolecularWeight: 402.253881

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)([O-])[O-])O)N.[Na+].[Na+]

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC(COCP(=O)([O-])[O-])O)N.[Na+].[Na+]

InChI

InChI=1S/C12H19N6O5P.2Na/c1-2-3-14-10-9-11(17-12(13)16-10)18(6-15-9)4-8(19)5-23-7-24(20,21)22;;/h2,6,8,19H,1,3-5,7H2,(H2,20,21,22)(H3,13,14,16,17);;/q;2*+1/p-2