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

Systemtic Name: 5-(1,2-diazepan-1-yl)-5-methyl-2,6-bis(oxidanylidene)-1-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile Openeye Name: 5-(diazepan-1-yl)-5-methyl-2,6-dioxo-1-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile CAS Name: 5-(1-diazepanyl)-5-methyl-2,6-dioxo-1-(7-purinylmethyl)-1-cyclohex-3-enecarbonitrile IUPAC Name: 5-(diazepan-1-yl)-5-methyl-2,6-dioxo-1-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile Traditional Name: 5-(diazepan-1-yl)-2,6-diketo-5-methyl-1-(purin-7-ylmethyl)cyclohex-3-ene-1-carbonitrile Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(C1=O)(CN2C=NC3=NC=NC=C32)C#N)N4CCCCCN4

Isomeric SMILES

CC1(C=CC(=O)C(C1=O)(CN2C=NC3=NC=NC=C32)C#N)N4CCCCCN4

InChI

InChI=1S/C19H21N7O2/c1-18(26-8-4-2-3-7-24-26)6-5-15(27)19(10-20,17(18)28)11-25-13-23-16-14(25)9-21-12-22-16/h5-6,9,12-13,24H,2-4,7-8,11H2,1H3