1-(2,3-dimethylphenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea CAS Name: 1-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(4,6-dipyrrolidino-s-triazin-2-yl)amino]thiourea Formula: C20H28N8S MolecularWeight: 412.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)C

InChI

InChI=1S/C20H28N8S/c1-14-8-7-9-16(15(14)2)21-20(29)26-25-17-22-18(27-10-3-4-11-27)24-19(23-17)28-12-5-6-13-28/h7-9H,3-6,10-13H2,1-2H3,(H2,21,26,29)(H,22,23,24,25)