N-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCCCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCCCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C17H23N7O2S/c1-10-11(16(26)22-17(27)21-10)6-7-14(25)20-8-4-2-3-5-13-12(9-18)15(19)24-23-13/h2-8H2,1H3,(H,20,25)(H3,19,23,24)(H2,21,22,26,27)