4-(1,2-diazepan-1-yl)-1,5-dimethyl-2,6-bis(oxidanylidene)-5-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile

Systemtic Name: 4-(1,2-diazepan-1-yl)-1,5-dimethyl-2,6-bis(oxidanylidene)-5-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile Openeye Name: 4-(diazepan-1-yl)-1,5-dimethyl-2,6-dioxo-5-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile CAS Name: 4-(1-diazepanyl)-1,5-dimethyl-2,6-dioxo-5-(7-purinylmethyl)-1-cyclohex-3-enecarbonitrile IUPAC Name: 4-(diazepan-1-yl)-1,5-dimethyl-2,6-dioxo-5-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile Traditional Name: 4-(diazepan-1-yl)-2,6-diketo-1,5-dimethyl-5-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC(=O)C(C1=O)(C)C#N)N2CCCCCN2)CN3C=NC4=NC=NC=C43

Isomeric SMILES

CC1(C(=CC(=O)C(C1=O)(C)C#N)N2CCCCCN2)CN3C=NC4=NC=NC=C43

InChI

InChI=1S/C20H23N7O2/c1-19(10-21)16(28)8-15(27-7-5-3-4-6-25-27)20(2,18(19)29)11-26-13-24-17-14(26)9-22-12-23-17/h8-9,12-13,25H,3-7,11H2,1-2H3