1-[(E)-[6-imidazol-1-yl-2-(propan-2-ylamino)pyrimidin-4-yl]methylideneamino]-1-methyl-thiourea

Systemtic Name: 1-[(E)-[6-imidazol-1-yl-2-(propan-2-ylamino)pyrimidin-4-yl]methylideneamino]-1-methyl-thiourea Openeye Name: 1-[(E)-[6-imidazol-1-yl-2-(isopropylamino)pyrimidin-4-yl]methyleneamino]-1-methyl-thiourea CAS Name: 1-[(E)-[6-(1-imidazolyl)-2-(propan-2-ylamino)-4-pyrimidinyl]methylideneamino]-1-methylthiourea IUPAC Name: 1-[(E)-[6-imidazol-1-yl-2-(propan-2-ylamino)pyrimidin-4-yl]methylideneamino]-1-methylthiourea Traditional Name: 1-[(E)-[6-imidazol-1-yl-2-(isopropylamino)pyrimidin-4-yl]methyleneamino]-1-methyl-thiourea Formula: C13H18N8S MolecularWeight: 318.40062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=CC(=N1)N2C=CN=C2)C=NN(C)C(=S)N

Isomeric SMILES

CC(C)NC1=NC(=CC(=N1)N2C=CN=C2)/C=N/N(C)C(=S)N

InChI

InChI=1S/C13H18N8S/c1-9(2)17-13-18-10(7-16-20(3)12(14)22)6-11(19-13)21-5-4-15-8-21/h4-9H,1-3H3,(H2,14,22)(H,17,18,19)/b16-7+