5-[4-(pentan-3-ylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(pentan-3-ylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(1-ethylpropylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-(pentan-3-ylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-(pentan-3-ylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(1-ethylpropyl)amine Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=CC=C(C=C1)C2=C(N=C(N=C2N)N)COCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC1=CC=C(C=C1)C2=C(N=C(N=C2N)N)COCC3=CC=CC=C3

InChI

InChI=1S/C23H29N5O/c1-3-18(4-2)26-19-12-10-17(11-13-19)21-20(27-23(25)28-22(21)24)15-29-14-16-8-6-5-7-9-16/h5-13,18,26H,3-4,14-15H2,1-2H3,(H4,24,25,27,28)