N-(1-adamantyl)-4,6-bis(chloranyl)pyrimidin-2-amine; propan-2-one

Systemtic Name: N-(1-adamantyl)-4,6-bis(chloranyl)pyrimidin-2-amine; propan-2-one Openeye Name: acetone; N-(1-adamantyl)-4,6-dichloro-pyrimidin-2-amine CAS Name: N-(1-adamantyl)-4,6-dichloro-2-pyrimidinamine; 2-propanone IUPAC Name: N-(1-adamantyl)-4,6-dichloropyrimidin-2-amine; propan-2-one Traditional Name: acetone; 1-adamantyl-(4,6-dichloropyrimidin-2-yl)amine Formula: C17H23Cl2N3O MolecularWeight: 356.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1C2CC3CC1CC(C2)(C3)NC4=NC(=CC(=N4)Cl)Cl

Isomeric SMILES

CC(=O)C.C1C2CC3CC1CC(C2)(C3)NC4=NC(=CC(=N4)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3.C3H6O/c15-11-4-12(16)18-13(17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14;1-3(2)4/h4,8-10H,1-3,5-7H2,(H,17,18,19);1-2H3