2,8-bis(azanyl)-9-[[1-(cyclohexylmethoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[[1-(cyclohexylmethoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[1-(cyclohexylmethoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[[1-(cyclohexylmethoxy)-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[[1-(cyclohexylmethoxy)-3-hydroxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[1-(cyclohexylmethoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2N

Isomeric SMILES

C1CCC(CC1)COCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2N

InChI

InChI=1S/C16H26N6O4/c17-15-20-13-12(14(24)21-15)19-16(18)22(13)9-26-11(6-23)8-25-7-10-4-2-1-3-5-10/h10-11,23H,1-9H2,(H2,18,19)(H3,17,20,21,24)