1-(1-adamantyl)-3-[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]urea Openeye Name: 1-(1-adamantyl)-3-[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]urea CAS Name: 1-(1-adamantyl)-3-[cyclopropylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]urea IUPAC Name: 1-(1-adamantyl)-3-[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]urea Traditional Name: 1-(1-adamantyl)-3-[N'-cyclopropyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]urea Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H30N6O/c1-12-5-13(2)23-18(22-12)25-19(24-17-3-4-17)26-20(28)27-21-9-14-6-15(10-21)8-16(7-14)11-21/h5,14-17H,3-4,6-11H2,1-2H3,(H3,22,23,24,25,26,27,28)