1-[4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]cyclohexyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]cyclohexyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]cyclohexyl]urea CAS Name: 1-[4-[[4-(dimethylamino)-5-methyl-2-pyrimidinyl]amino]cyclohexyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]urea Traditional Name: 1-benzyl-3-[4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]cyclohexyl]urea Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N(C)C)NC2CCC(CC2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(N=C1N(C)C)NC2CCC(CC2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H30N6O/c1-15-13-22-20(26-19(15)27(2)3)24-17-9-11-18(12-10-17)25-21(28)23-14-16-7-5-4-6-8-16/h4-8,13,17-18H,9-12,14H2,1-3H3,(H,22,24,26)(H2,23,25,28)