5-[4-(phenylmethyl)piperazin-1-yl]-6-propyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]-6-propyl-pyrimidine-2,4-diamine Openeye Name: 5-(4-benzylpiperazin-1-yl)-6-propyl-pyrimidine-2,4-diamine CAS Name: 5-[4-(phenylmethyl)-1-piperazinyl]-6-propylpyrimidine-2,4-diamine IUPAC Name: 5-(4-benzylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-benzylpiperazino)-6-propyl-pyrimidin-4-yl]amine Formula: C18H26N6 MolecularWeight: 326.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C(=NC(=N1)N)N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N6/c1-2-6-15-16(17(19)22-18(20)21-15)24-11-9-23(10-12-24)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H4,19,20,21,22)