2-[(E)-[1-[3-(butylamino)phenyl]pyrrol-3-yl]methylideneamino]guanidine

Systemtic Name: 2-[(E)-[1-[3-(butylamino)phenyl]pyrrol-3-yl]methylideneamino]guanidine Openeye Name: 2-[(E)-[1-[3-(butylamino)phenyl]pyrrol-3-yl]methyleneamino]guanidine CAS Name: 2-[(E)-[1-[3-(butylamino)phenyl]-3-pyrrolyl]methylideneamino]guanidine IUPAC Name: 2-[(E)-[1-[3-(butylamino)phenyl]pyrrol-3-yl]methylideneamino]guanidine Traditional Name: 2-[(E)-[1-[3-(butylamino)phenyl]pyrrol-3-yl]methyleneamino]guanidine Formula: C16H22N6 MolecularWeight: 298.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC(=C1)N2C=CC(=C2)C=NN=C(N)N

Isomeric SMILES

CCCCNC1=CC=CC(=C1)N2C=CC(=C2)/C=N/N=C(N)N

InChI

InChI=1S/C16H22N6/c1-2-3-8-19-14-5-4-6-15(10-14)22-9-7-13(12-22)11-20-21-16(17)18/h4-7,9-12,19H,2-3,8H2,1H3,(H4,17,18,21)/b20-11+