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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Openeye Name: 1-(2,5-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-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Traditional Name: 1-(2,5-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=CC(=C(C=C1)C)NC(=S)NNC2=NC(=NC(=N2)N3CCCC3)N4CCCC4

Isomeric SMILES

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

InChI

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