N4,N6-bis(1-adamantyl)-2-chloranyl-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(1-adamantyl)-2-chloranyl-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(1-adamantyl)-2-chloro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(1-adamantyl)-2-chloropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(1-adamantyl)-2-chloropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(1-adamantylamino)-2-chloro-pyrimidin-4-yl]amine Formula: C24H33ClN4 MolecularWeight: 412.99862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=CC(=NC(=N4)Cl)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=CC(=NC(=N4)Cl)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C24H33ClN4/c25-22-26-20(28-23-8-14-1-15(9-23)3-16(2-14)10-23)7-21(27-22)29-24-11-17-4-18(12-24)6-19(5-17)13-24/h7,14-19H,1-6,8-13H2,(H2,26,27,28,29)