1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)amino]-phenethyliminomethyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethylcarbamimidoyl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-amidino]-3-(tetrahydrofurfuryl)thiourea Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=S)NCC3CCCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=S)NCC3CCCO3)C

InChI

InChI=1S/C21H28N6OS/c1-15-13-16(2)25-20(24-15)26-19(22-11-10-17-7-4-3-5-8-17)27-21(29)23-14-18-9-6-12-28-18/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3,(H3,22,23,24,25,26,27,29)