1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-ethyl-thiourea

Systemtic Name: 1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-ethyl-thiourea Openeye Name: 1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-ethyl-thiourea CAS Name: 1-[1,3-benzodioxol-5-ylmethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-ethylthiourea IUPAC Name: 1-[N'-(1,3-benzodioxol-5-ylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-ethylthiourea Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-piperonyl-amidino]-3-ethyl-thiourea Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(=NCC1=CC2=C(C=C1)OCO2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCNC(=S)NC(=NCC1=CC2=C(C=C1)OCO2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C18H22N6O2S/c1-4-19-18(27)24-16(23-17-21-11(2)7-12(3)22-17)20-9-13-5-6-14-15(8-13)26-10-25-14/h5-8H,4,9-10H2,1-3H3,(H3,19,20,21,22,23,24,27)