bis[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butoxy]-oxidanylidene-phosphanium

Systemtic Name: bis[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butoxy]-oxidanylidene-phosphanium Openeye Name: bis[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butoxy]-oxo-phosphonium CAS Name: bis[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butoxy]-oxophosphonium IUPAC Name: bis[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butoxy]-oxophosphanium Traditional Name: bis[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butoxy]-keto-phosphonium Formula: C22H30N8O7P+ MolecularWeight: 549.496761

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO[P+](=O)OCCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO[P+](=O)OCCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H30N8O7P/c1-25-17-15(19(31)27(3)21(25)33)29(13-23-17)9-5-7-11-36-38(35)37-12-8-6-10-30-14-24-18-16(30)20(32)28(4)22(34)26(18)2/h13-14H,5-12H2,1-4H3/q+1