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N4-(1-adamantyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

N4-(1-adamantyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name:N4-(1-adamantyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
Openeye Name:N4-(1-adamantyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CAS Name:N4-(1-adamantyl)-N6-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
IUPAC Name:4-N-(1-adamantyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
Traditional Name:1-adamantyl-[5-amino-6-(m-anisidino)pyrimidin-4-yl]amine
Formula: C21H27N5O
MolecularWeight: 365.47198
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N


Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N


InChI

InChI=1S/C21H27N5O/c1-27-17-4-2-3-16(8-17)25-19-18(22)20(24-12-23-19)26-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,12-15H,5-7,9-11,22H2,1H3,(H2,23,24,25,26)


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