1,2,3-trideuterio-1-[(E)-(1-deuterio-5-methoxy-indol-3-yl)methylideneamino]-3-pentyl-guanidine

Systemtic Name: 1,2,3-trideuterio-1-[(E)-(1-deuterio-5-methoxy-indol-3-yl)methylideneamino]-3-pentyl-guanidine Openeye Name: 1,2,3-trideuterio-1-[(E)-(1-deuterio-5-methoxy-indol-3-yl)methyleneamino]-3-pentyl-guanidine CAS Name: 1,2,3-trideuterio-1-[(E)-(1-deuterio-5-methoxy-3-indolyl)methylideneamino]-3-pentylguanidine IUPAC Name: 1,2,3-trideuterio-1-[(E)-(1-deuterio-5-methoxyindol-3-yl)methylideneamino]-3-pentylguanidine Traditional Name: 1-amyl-1,2,3-trideuterio-3-[(E)-(1-deuterio-5-methoxy-indol-3-yl)methyleneamino]guanidine Formula: C16H23N5O MolecularWeight: 305.411367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=N)NN=CC1=CNC2=C1C=C(C=C2)OC

Isomeric SMILES

[2H]N=C(N([2H])CCCCC)N([2H])/N=C/C1=CN(C2=C1C=C(C=C2)OC)[2H]

InChI

InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+/i/hD4