1-[[4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methylurea Traditional Name: [4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]benzyl]urea Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C21H28N6O2/c1-14(2)19-24-15(3)12-18(25-19)26-8-10-27(11-9-26)20(28)17-6-4-16(5-7-17)13-23-21(22)29/h4-7,12,14H,8-11,13H2,1-3H3,(H3,22,23,29)