N4-(4-butylphenyl)-N6-(3-methoxypropyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-butylphenyl)-N6-(3-methoxypropyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-(3-methoxypropyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-(3-methoxypropyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C18H27N5O MolecularWeight: 329.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCOC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCOC)N

InChI

InChI=1S/C18H27N5O/c1-3-4-6-14-7-9-15(10-8-14)23-18-16(19)17(21-13-22-18)20-11-5-12-24-2/h7-10,13H,3-6,11-12,19H2,1-2H3,(H2,20,21,22,23)