2-[[8-bromanyl-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[8-bromanyl-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-[(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl)methyl]pyridine-3-carbonitrile CAS Name: 2-[(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl)methyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl)methyl]pyridine-3-carbonitrile Traditional Name: 2-[(8-bromo-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl)methyl]nicotinonitrile Formula: C17H13BrN6O2 MolecularWeight: 413.22812

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=C(C=CC=N3)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=C(C=CC=N3)C#N)C

InChI

InChI=1S/C17H13BrN6O2/c1-3-4-8-23-13-14(21-16(23)18)22(2)17(26)24(15(13)25)10-12-11(9-19)6-5-7-20-12/h5-7H,8,10H2,1-2H3