1-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]amino]thiourea CAS Name: 1-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(4-anilino-6-piperidino-s-triazin-2-yl)amino]thiourea Formula: C18H24N8S MolecularWeight: 384.50176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

C=CCNC(=S)NNC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C18H24N8S/c1-2-11-19-18(27)25-24-16-21-15(20-14-9-5-3-6-10-14)22-17(23-16)26-12-7-4-8-13-26/h2-3,5-6,9-10H,1,4,7-8,11-13H2,(H2,19,25,27)(H2,20,21,22,23,24)