1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 3-methylbenzenecarbonitrile

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 3-methylbenzenecarbonitrile Openeye Name: 1-tert-butyl-3-(diaminomethylene)urea; 3-methylbenzonitrile CAS Name: 1-tert-butyl-3-(diaminomethylidene)urea; 3-methylbenzonitrile IUPAC Name: 1-tert-butyl-3-(diaminomethylidene)urea; 3-methylbenzonitrile Traditional Name: 1-tert-butyl-3-(diaminomethylene)urea; 3-methylbenzonitrile Formula: C14H21N5O MolecularWeight: 275.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#N.CC(C)(C)NC(=O)N=C(N)N

Isomeric SMILES

CC1=CC=CC(=C1)C#N.CC(C)(C)NC(=O)N=C(N)N

InChI

InChI=1S/C8H7N.C6H14N4O/c1-7-3-2-4-8(5-7)6-9;1-6(2,3)10-5(11)9-4(7)8/h2-5H,1H3;1-3H3,(H5,7,8,9,10,11)