1-[bis(azanyl)methylidene]-3-(isoquinolin-1-ylmethyl)urea

Systemtic Name: 1-[bis(azanyl)methylidene]-3-(isoquinolin-1-ylmethyl)urea Openeye Name: 1-(diaminomethylene)-3-(1-isoquinolylmethyl)urea CAS Name: 1-(diaminomethylidene)-3-(1-isoquinolinylmethyl)urea IUPAC Name: 1-(diaminomethylidene)-3-(isoquinolin-1-ylmethyl)urea Traditional Name: 1-(diaminomethylene)-3-(1-isoquinolylmethyl)urea Formula: C12H13N5O MolecularWeight: 243.26452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CNC(=O)N=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CNC(=O)N=C(N)N

InChI

InChI=1S/C12H13N5O/c13-11(14)17-12(18)16-7-10-9-4-2-1-3-8(9)5-6-15-10/h1-6H,7H2,(H5,13,14,16,17,18)