1-(1-adamantyl)-3-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-3-keto-propyl]urea Formula: C26H40N6O2 MolecularWeight: 468.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H40N6O2/c1-17(2)24-28-18(3)10-22(29-24)31-6-8-32(9-7-31)23(33)4-5-27-25(34)30-26-14-19-11-20(15-26)13-21(12-19)16-26/h10,17,19-21H,4-9,11-16H2,1-3H3,(H2,27,30,34)