5-[(4-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine hydrate

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine hydrate Openeye Name: 5-[(4-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine hydrate CAS Name: 5-[(4-methoxyphenyl)methyl]-2-[2-(1-piperazinyl)ethylthio]pyrimidine-4,6-diamine hydrate IUPAC Name: 5-[(4-methoxyphenyl)methyl]-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine-4,6-diamine hydrate Traditional Name: [6-amino-5-p-anisyl-2-(2-piperazinoethylthio)pyrimidin-4-yl]amine hydrate Formula: C18H28N6O2S MolecularWeight: 392.51892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N=C(N=C2N)SCCN3CCNCC3)N.O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N=C(N=C2N)SCCN3CCNCC3)N.O

InChI

InChI=1S/C18H26N6OS.H2O/c1-25-14-4-2-13(3-5-14)12-15-16(19)22-18(23-17(15)20)26-11-10-24-8-6-21-7-9-24;/h2-5,21H,6-12H2,1H3,(H4,19,20,22,23);1H2