5-azanyl-4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-6-(2-methylpropylamino)pyrimidine-2-carbonitrile

Systemtic Name: 5-azanyl-4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-6-(2-methylpropylamino)pyrimidine-2-carbonitrile Openeye Name: 5-amino-4-[(1,1-dioxothiolan-3-yl)amino]-6-(isobutylamino)pyrimidine-2-carbonitrile CAS Name: 5-amino-4-[(1,1-dioxo-3-thiolanyl)amino]-6-(2-methylpropylamino)-2-pyrimidinecarbonitrile IUPAC Name: 5-amino-4-[(1,1-dioxothiolan-3-yl)amino]-6-(2-methylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 5-amino-4-[(1,1-diketothiolan-3-yl)amino]-6-(isobutylamino)pyrimidine-2-carbonitrile Formula: C13H20N6O2S MolecularWeight: 324.4019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC(=C1N)NC2CCS(=O)(=O)C2)C#N

Isomeric SMILES

CC(C)CNC1=NC(=NC(=C1N)NC2CCS(=O)(=O)C2)C#N

InChI

InChI=1S/C13H20N6O2S/c1-8(2)6-16-12-11(15)13(19-10(5-14)18-12)17-9-3-4-22(20,21)7-9/h8-9H,3-4,6-7,15H2,1-2H3,(H2,16,17,18,19)