1,1-dimethylthiourea; ethanenitrile; 2,4,6-trimethylpyrimidine

Systemtic Name: 1,1-dimethylthiourea; ethanenitrile; 2,4,6-trimethylpyrimidine Openeye Name: acetonitrile; 1,1-dimethylthiourea; 2,4,6-trimethylpyrimidine CAS Name: acetonitrile; 1,1-dimethylthiourea; 2,4,6-trimethylpyrimidine IUPAC Name: acetonitrile; 1,1-dimethylthiourea; 2,4,6-trimethylpyrimidine Traditional Name: acetonitrile; 1,1-dimethylthiourea; 2,4,6-trimethylpyrimidine Formula: C12H21N5S MolecularWeight: 267.39364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=CC(=NC(=N1)C)C.CN(C)C(=S)N

Isomeric SMILES

CC#N.CC1=CC(=NC(=N1)C)C.CN(C)C(=S)N

InChI

InChI=1S/C7H10N2.C3H8N2S.C2H3N/c1-5-4-6(2)9-7(3)8-5;1-5(2)3(4)6;1-2-3/h4H,1-3H3;1-2H3,(H2,4,6);1H3