5-[(4-heptoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine

Systemtic Name: 5-[(4-heptoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine Openeye Name: 5-[(4-heptoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine CAS Name: 5-[(4-heptoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine IUPAC Name: 5-[(4-heptoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine Traditional Name: [2-amino-5-(4-heptoxybenzyl)-4,5-dihydropyrimidin-6-yl]amine Formula: C18H28N4O MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CC2CN=C(N=C2N)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CC2CN=C(N=C2N)N

InChI

InChI=1S/C18H28N4O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)12-15-13-21-18(20)22-17(15)19/h7-10,15H,2-6,11-13H2,1H3,(H4,19,20,21,22)